N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide

C25H30FN7O — CID 167501564

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCC(CNC(C)C)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C25H30FN7O/c1-15(2)27-10-17-7-8-32(12-17)22-6-5-19(23-20(22)14-31(4)30-23)25(34)29-18-9-21(26)24-28-16(3)11-33(24)13-18/h5-6,9,11,13-15,17,27H,7-8,10,12H2,1-4H3,(H,29,34)
InChIKeyMWUMIPBYSUWNBR-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.75
Rot. Bonds6

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide (PubChem CID 167501564) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide
PubChem CID167501564
Molecular FormulaC25H30FN7O
Molecular Weight463.56 g/mol
Exact Mass463.25
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCC(CNC(C)C)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C25H30FN7O/c1-15(2)27-10-17-7-8-32(12-17)22-6-5-19(23-20(22)14-31(4)30-23)25(34)29-18-9-21(26)24-28-16(3)11-33(24)13-18/h5-6,9,11,13-15,17,27H,7-8,10,12H2,1-4H3,(H,29,34)
InChIKeyMWUMIPBYSUWNBR-UHFFFAOYSA-N
XLogP3.75
TPSA79.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide (CID 167501564) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CCC(CNC(C)C)C4)c4cn(C)nc34)cc(F)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide?
The InChIKey is MWUMIPBYSUWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-15(2)27-10-17-7-8-32(12-17)22-6-5-19(23-20(22)14-31(4)30-23)25(34)29-18-9-21(26)24-28-16(3)11-33(24)13-18/h5-6,9,11,13-15,17,27H,7-8,10,12H2,1-4H3,(H,29,34).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide is sourced from PubChem (CID 167501564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).